SCHEMBL16428016

SCHEMBL16428016

CC(C=O)(NC(=O)O)c1cc(Br)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
AR P10275 1/20 0.37
DGAT1 O75907 1/20 0.35
PTGFR P43088 5/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 1/20 0.35
RBP4 P02753 1/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
AAK1 Q2M2I8 2/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.33
TYK2 P29597 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16435370 0.83 AAK1 (0.48) PTGDR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL245821 0.83 AAK1 (0.48) PTGDR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL12614400 0.83 PTGDR2 (0.40) PTGDR2ARDGAT1PTGFRNPC1
SCHEMBL18668331 0.81 PTGDR2 (0.37) PTGDR2ARDGAT1PTGFRNPC1
SCHEMBL9953037 0.78 PTGDR2 (0.40) PTGDR2ARDGAT1PTGFRNPC1
SCHEMBL15124945 0.77 ALDH1A1 (0.35) ARDGAT1NPC1RAB9AALDH1A1
SCHEMBL16427989 0.75 PTGDR2 (0.35) PTGDR2ARPTGFRNPC1RAB9A
SCHEMBL16437892 0.74 PTGDR2 (0.43) PTGDR2ARDGAT1PTGFRNPC1
SCHEMBL27894287 0.74 AAK1 (0.40) PTGDR2NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL6519772 0.74 DGAT1 (0.41) PTGDR2DGAT1NPC1RAB9AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC (US) 2015-09-10 US disclosed
US-9096615-B2 Bridged bicyclic amino thiazine dioxide compounds as inhibitors of beta-secretase and methods of use thereof AMGEN INC. (US) 2015-08-04 US disclosed
WO-2015017407-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA- SECRETASE AMGEN INC. (US) 2015-02-05 WO disclosed
US-20150038497-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF AMGEN INC. 2015-02-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150252059-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP PTGDR2 1424/4885AR 3355/4885DGAT1 3294/4885
US-20150038497-A1 BRIDGED BICYCLIC AMINO THIAZINE DIOXIDE COMPOUNDS AS INHIBITORS OF BETA-SECRETASE AND METHODS OF USE THEREOF BACE1, BACE2, APP PTGDR2 1424/4885AR 3355/4885DGAT1 3294/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.